SCHEMBL9837468

SCHEMBL9837468

COc1ccc2[nH]cc(C3C=CN(C(C)=O)C=C3)c2c1

nearest known ligand 0.56

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MTNR1A P48039 6/20 0.56
MTNR1B P49286 5/20 0.56
HTR2B P41595 2/20 0.50
HTR2A P28223 1/20 0.50
HTR2C P28335 1/20 0.50
NR4A2 P43354 1/20 0.49
LMNA P02545 2/20 0.48
TSHR P16473 1/20 0.48
IDO1 P14902 1/20 0.48
KDM4E B2RXH2 2/20 0.47
MEN1 O00255 2/20 0.47
RAB9A P51151 2/20 0.47
KMT2A Q03164 2/20 0.47
MAPT P10636 2/20 0.47
MITF O75030 1/20 0.47
NPSR1 Q6W5P4 1/20 0.47
ALDH1A1 P00352 2/20 0.46
CYP1A2 P05177 2/20 0.46
CYP2D6 P10635 2/20 0.46
CYP1A1 P04798 1/20 0.46

Click a target to see other patent compounds predicted against it — the reverse direction, in place.

Similar compounds — the chemically nearest patent molecules

Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.

Compoundsimilaritytop predictedshared targets
SCHEMBL5705114 0.82 CYP1A2 (0.52) LMNAKDM4EMEN1KMT2AMAPT
SCHEMBL11440068 0.82 F7 (0.47) MTNR1AMTNR1BHTR2ANR4A2TSHR
SCHEMBL9836327 0.75 MTNR1A (0.78) MTNR1AMTNR1BHTR2BHTR2AHTR2C
SCHEMBL3214536 0.72 MTNR1A (0.58) MTNR1AMTNR1BHTR2BHTR2AHTR2C
SCHEMBL7198422 0.70 IDO1 (0.56) MTNR1AMTNR1BHTR2BHTR2AHTR2C
SCHEMBL2834218 0.70 NR4A2 (0.75) MTNR1AMTNR1BHTR2BNR4A2LMNA
SCHEMBL5341311 0.70 MTNR1A (0.67) MTNR1AMTNR1BHTR2BHTR2AHTR2C
SCHEMBL9026787 0.69 HTR2B (0.54) MTNR1AMTNR1BHTR2BHTR2AHTR2C
SCHEMBL21255991 0.69 MTNR1A (0.60) MTNR1AMTNR1BHTR2BHTR2AHTR2C
SCHEMBL24736529 0.69 HTR2A (0.60) MTNR1AMTNR1BHTR2BHTR2AHTR2C

Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.

Patent provenance — the patents this molecule appears in, and who filed them

Claimed or disclosed in 3 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0224919-B1 NEW THIAZOLE COMPOUNDS, PROCESSES FOR THE PREPARATION THEREOF AND PHARMACEUTICAL COMPOSITION COMPRISING THE SAME FUJISAWA PHARMACEUTICAL CO., LTD. (JP) 1991-08-14 EP disclosed
US-4742057-A Antiallergic thiazole compounds FUJISAWA PHARMACEUTICAL CO., LTD. (JP) 1988-05-03 US disclosed
EP-0224919-A2 New thiazole compounds, processes for the preparation thereof and pharmaceutical composition comprising the same FUJISAWA PHARMACEUTICAL CO., LTD. (JP) 1987-06-10 EP disclosed